SCHEMBL16159784

SCHEMBL16159784

c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(-c5cc(-c6cscn6)ccn5)c5ccccc5c(-c5cc(-c6cscn6)ccn5)c4c3)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.39
KAT6A Q92794 1/20 0.38
KDM4A O75164 2/20 0.37
KDM4B O94953 2/20 0.37
KDM5C P41229 2/20 0.37
KDM5B Q9UGL1 2/20 0.37
PIK3CA P42336 1/20 0.36
ALK Q9UM73 2/20 0.33
IMPDH2 P12268 1/20 0.33
SMO Q99835 2/20 0.33
ROCK1 Q13464 1/20 0.33
PLG P00747 1/20 0.32
PLAU P00749 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
TGFBR1 P36897 2/20 0.32
MAP4K4 O95819 1/20 0.32
RIPK2 O43353 1/20 0.32
EGFR P00533 1/20 0.32
KDR P35968 1/20 0.32
ESR1 P03372 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16159800 0.97 SCN9A (0.42) SCN9AKAT6AKDM4AKDM4BKDM5C
SCHEMBL16159352 0.97 KAT6A (0.40) SCN9AKAT6AKDM4AKDM4BKDM5C
SCHEMBL16159761 0.97 KAT6A (0.40) SCN9AKAT6AKDM4AKDM4BKDM5C
SCHEMBL16159701 0.90 KDM4A (0.43) SCN9AKAT6AKDM4AKDM4BKDM5C
SCHEMBL16159355 0.89 SCN9A (0.44) SCN9AKAT6AKDM4AKDM4BKDM5C
SCHEMBL16159132 0.88 SCN9A (0.44) SCN9AKAT6AKDM4AKDM4BKDM5C
SCHEMBL16159634 0.88 KDM4A (0.43) SCN9AKAT6AKDM4AKDM4BKDM5C
SCHEMBL16159527 0.87 KDM4A (0.45) SCN9AKAT6AKDM4AKDM4BKDM5C
SCHEMBL16159665 0.87 KDM4A (0.45) SCN9AKAT6AKDM4AKDM4BKDM5C
SCHEMBL17704327 0.87 SCN9A (0.45) SCN9AKAT6AKDM4AKDM4BKDM5C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160118598-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME JNC CORPORATION (JP) 2016-04-28 US disclosed
US-20160118598-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME JNC CORPORATION (JP) 2016-04-28 US disclosed
WO-2014163173-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME JNC株式会社 (JP) 2014-10-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160118598-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME HVCN1, VDAC1, SLC26A3 SCN9A 1007/4885KAT6A 1106/4885KDM4A 601/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.